4C4M
Crystal structure of the Sonic Hedgehog-chondroitin-4-sulphate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Collection date | 2012-07-08 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.350, 55.660, 71.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.828 - 1.740 |
| R-factor | 0.1618 |
| Rwork | 0.160 |
| R-free | 0.19340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.118 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.800 | 1.790 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.080 | 0.700 |
| Number of reflections | 17037 | |
| <I/σ(I)> | 15.3 | 2.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 25% (W/V) PEG 3350, 100 MM HEPES PH 7.5 |
